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Home > Other Heterocycles > 1864992-68-6
1864992-68-6 | 4,6,6-trimethyl-1-oxaspiro[2.5]octane-2-carbonitrile
CAS No: 1864992-68-6 Catalog No: AG01C6NP MDL No:MFCD31432172
Product Description
Catalog Number:
AG01C6NP
Chemical Name:
4,6,6-trimethyl-1-oxaspiro[2.5]octane-2-carbonitrile
CAS Number:
1864992-68-6
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
MDL Number:
MFCD31432172
IUPAC Name:
4,6,6-trimethyl-1-oxaspiro[2.5]octane-2-carbonitrile
InChI:
InChI=1S/C11H17NO/c1-8-6-10(2,3)4-5-11(8)9(7-12)13-11/h8-9H,4-6H2,1-3H3
InChI Key:
INOSPRSPGJBPIL-UHFFFAOYSA-N
SMILES:
N#CC1OC21CCC(CC2C)(C)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.263g/mol
Monoisotopic Mass:
179.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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